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89803-67-8 | Piperidine, 1-butyl-2-(phenylmethyl)-, hydrochloride
CAS No: 89803-67-8 Catalog No: AG003YAO MDL No:
Product Description
Catalog Number:
AG003YAO
Chemical Name:
Piperidine, 1-butyl-2-(phenylmethyl)-, hydrochloride
CAS Number:
89803-67-8
Molecular Formula:
C16H26ClN
Molecular Weight:
267.8373
IUPAC Name:
2-benzyl-1-butylpiperidine;hydrochloride
InChI:
InChI=1S/C16H25N.ClH/c1-2-3-12-17-13-8-7-11-16(17)14-15-9-5-4-6-10-15;/h4-6,9-10,16H,2-3,7-8,11-14H2,1H3;1H
InChI Key:
QMCPVORHGBPXAA-UHFFFAOYSA-N
SMILES:
CCCCN1CCCCC1Cc1ccccc1.Cl
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.175g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.841g/mol
Monoisotopic Mass:
267.175g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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